本文利用分子动力学模拟研究了双壁碳纳米管中的热驱动现象,当双壁碳纳米管的内管存在温差而产生热流时,外管总是沿着内管的热流方向运动.当内管温度梯度为几K/nm时,外管每个碳原子所受的热驱动力在3.5 fN到16fN之间.根据热质理论,声子气的运动会对物质原子骨架产生作用力,它就是热流产生的热驱动力,这定性解释了热驱动现象的物理机制.此外,基于声子理论分析了热驱动机理,指出驱动力大小与热流成正比.
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